CID 212298

Phenothiazine, 2-chloro-10-(3-(8-methyl-3,8-diazabicyclo(3.2.1)oct-3-yl)propyl)-, dihydrochloride

Structural Information

Molecular Formula
C22H26ClN3S
SMILES
CN1C2CCC1CN(C2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI
InChI=1S/C22H26ClN3S/c1-24-17-8-9-18(24)15-25(14-17)11-4-12-26-19-5-2-3-6-21(19)27-22-10-7-16(23)13-20(22)26/h2-3,5-7,10,13,17-18H,4,8-9,11-12,14-15H2,1H3
InChIKey
OYGRXMCFOYYWLX-UHFFFAOYSA-N
Compound name
2-chloro-10-[3-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)propyl]phenothiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.1536 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16088 194.3
[M+Na]+ 422.14282 209.5
[M+NH4]+ 417.18742 205.0
[M+K]+ 438.11676 198.2
[M-H]- 398.14632 198.9
[M+Na-2H]- 420.12827 197.8
[M]+ 399.15305 198.8
[M]- 399.15415 198.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.